Chemical Properties of Dimethyl(E)-1-propenyl orthoacetate (CAS 66178-21-0)

InChI

InChI=1S/C7H14O3/c1-5-6-10-7(2,8-3)9-4/h5-6H,1-4H3/b6-5+

InChI Key

XJZFAGYWNJDGRK-AATRIKPKSA-N

Formula

C7H14O3

SMILES

CC=COC(C)(OC)OC

Molecular Weight¹

146.18

CAS

66178-21-0

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[184.73; 406.85]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.43700e+01
Coefficient B			6.25080e-01
Coefficient C			-2.79600e-04
Coefficient D			2.70000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	184.73	J/mol×K	273.00	Calculated Property
Cp,gas	221.71	J/mol×K	353.78	Calculated Property
Cp,gas	255.42	J/mol×K	434.56	Calculated Property
Cp,gas	285.94	J/mol×K	515.33	Calculated Property
Cp,gas	313.35	J/mol×K	596.11	Calculated Property
Cp,gas	337.75	J/mol×K	676.89	Calculated Property
Cp,gas	359.21	J/mol×K	757.67	Calculated Property
Cp,gas	377.82	J/mol×K	838.44	Calculated Property
Cp,gas	393.68	J/mol×K	919.22	Calculated Property
Cp,gas	406.85	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0031657; 0.0001500]	Pa×s	[232.68; 428.55]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.24281e+01
Coefficient B			1.55261e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			232.68
Temperature range, max.			428.55
η	0.0031657	Pa×s	232.68	Calculated Property
η	0.0017889	Pa×s	254.44	Calculated Property
η	0.0011061	Pa×s	276.21	Calculated Property
η	0.0007336	Pa×s	297.97	Calculated Property
η	0.0005146	Pa×s	319.73	Calculated Property
η	0.0003776	Pa×s	341.50	Calculated Property
η	0.0002876	Pa×s	363.26	Calculated Property
η	0.0002259	Pa×s	385.02	Calculated Property
η	0.0001820	Pa×s	406.79	Calculated Property
η	0.0001500	Pa×s	428.55	Calculated Property

Similar Compounds

Find more compounds similar to Dimethyl(E)-1-propenyl orthoacetate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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